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Sulphur adsorption on Au{1 1 0}: DFT and LEED study |
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| Authors: | M Lahti K Pussi M Alatalo SA Krasnikov AA Cafolla |
| Institution: | 1. Department of Mathematics and Physics, Lappeenranta University of Technology, PO Box 20, FIN-53581, Lappeenranta, Finland;2. School of Physical Sciences, Dublin City University, Glasnevin, Dublin 9, Ireland;3. National Centre for Sensor Research (NCSR), Dublin City University, Glasnevin, Dublin 9, Ireland |
| Abstract: | The adsorption of sulphur on clean reconstructed Au{1 1 0}-(1 × 2) surface was studied using density functional theory (DFT) and quantitative low energy electron diffraction (LEED) calculations. The results show that the sulphur atoms form a (4 × 2) ordered structure which preserves the missing row reconstruction of the clean surface. The sulphur atom is found to adsorb on threefold hollow sites, on the {1 1 1} microfacets that border the trenches of the missing rows. |
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